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O6-Methylguanine

O6-Methylguanine structure

CAS No:
20535-83-5
Formula:
C6H7N5O
Chemical Name:
O6-Methylguanine
Synonyms:
9H-Purin-2-amine,6-methoxy-;Purine,2-amino-6-methoxy-;1H-Purin-2-amine,6-methoxy-;6-Methoxy-9H-purin-2-amine;6-Methoxyguanine;O6-Methylguanine;2-Amino-6-methoxypurine;NSC 37364;6-O-Methylguanine
Categories:
Biochemical Engineering > Nucleoside Drugs

Description

Off-white solid

6-O-methylguanine is a methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA. It has a role as a mutagen.

O6-Methylguanine Basic Attributes

Molecular Weight：

165.16

Exact Mass：

165.15

EC Number：

1312995-182-4

UNII：

9B710FV2AE

NSC Number：

37364

DSSTox ID：

DTXSID9049405

HScode：

2933990090

Characteristics

PSA：

89.71000

XLogP3：

0.52490

Appearance：

white to off-white crystalline powder

Density：

1.5±0.1 g/cm3

Melting Point：

245-248 °C (decomp)

Boiling Point：

288.6°C at 760 mmHg

Flash Point：

315.8±30.9 °C

Refractive Index：

1.745

Water Solubility：

>24.8 [ug/mL]

Vapor Pressure：

0.00232mmHg at 25°C

Safety Information

wgk germany：

safety instructions：

24/25

RTECS Number：

UO7473000

Marks：

Hazard note：

Irritant

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

6-methoxyguanine

O6-Methylguanine Use and Manufacturing

Antitumor agent

Computed Properties

Molecular Weight:165.15
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:165.06505986
Monoisotopic Mass:165.06505986
Topological Polar Surface Area:89.7
Heavy Atom Count:12
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Methanol

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CAS No.: 20535-83-5

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Guide of O6-Methylguanine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Downstream Products
Recommended Suppliers
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O6-Methylguanine

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